2-[2-(2-methylpropoxy)phenyl]purin-6-one

C15H14N4O2 — CID 21250709

IUPAC2-[2-(2-methylpropoxy)phenyl]purin-6-one
SMILESCC(C)COc1ccccc1C1=NC(=O)C2=NC=NC2=N1
InChIInChI=1S/C15H14N4O2/c1-9(2)7-21-11-6-4-3-5-10(11)13-18-14-12(15(20)19-13)16-8-17-14/h3-6,8-9H,7H2,1-2H3
InChIKeyZWIMONOSUJCNTB-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.89
Rot. Bonds4

About 2-[2-(2-methylpropoxy)phenyl]purin-6-one

2-[2-(2-methylpropoxy)phenyl]purin-6-one (PubChem CID 21250709) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)phenyl]purin-6-one.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)phenyl]purin-6-one
PubChem CID21250709
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[2-(2-methylpropoxy)phenyl]purin-6-one
SMILESCC(C)COc1ccccc1C1=NC(=O)C2=NC=NC2=N1
InChIInChI=1S/C15H14N4O2/c1-9(2)7-21-11-6-4-3-5-10(11)13-18-14-12(15(20)19-13)16-8-17-14/h3-6,8-9H,7H2,1-2H3
InChIKeyZWIMONOSUJCNTB-UHFFFAOYSA-N
XLogP1.89
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)phenyl]purin-6-one?
The IUPAC name of 2-[2-(2-methylpropoxy)phenyl]purin-6-one (CID 21250709) is 2-[2-(2-methylpropoxy)phenyl]purin-6-one.
What is the SMILES notation for 2-[2-(2-methylpropoxy)phenyl]purin-6-one?
The canonical SMILES for 2-[2-(2-methylpropoxy)phenyl]purin-6-one is CC(C)COc1ccccc1C1=NC(=O)C2=NC=NC2=N1.
What is the InChIKey of 2-[2-(2-methylpropoxy)phenyl]purin-6-one?
The InChIKey is ZWIMONOSUJCNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9(2)7-21-11-6-4-3-5-10(11)13-18-14-12(15(20)19-13)16-8-17-14/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-[2-(2-methylpropoxy)phenyl]purin-6-one?
2-[2-(2-methylpropoxy)phenyl]purin-6-one has a molecular weight of 282.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)phenyl]purin-6-one is sourced from PubChem (CID 21250709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).